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496872-67-4 | N-(Pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CAS No: 496872-67-4 Catalog No: AG01FLYF MDL No:MFCD02953320
Product Description
Catalog Number:
AG01FLYF
Chemical Name:
N-(Pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CAS Number:
496872-67-4
Molecular Formula:
C13H11N3S
Molecular Weight:
241.3115
MDL Number:
MFCD02953320
IUPAC Name:
N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C13H11N3S/c1-2-6-12-11(5-1)16-13(17-12)15-9-10-4-3-7-14-8-10/h1-8H,9H2,(H,15,16)
InChI Key:
WYAOWBJMLVWESE-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)CNc1nc2c(s1)cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.312g/mol
Monoisotopic Mass:
241.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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